2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol

C11H12ClN3O2 — CID 71322817

IUPAC2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESOCC(O)(Cn1cncn1)c1ccccc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-10-4-2-1-3-9(10)11(17,6-16)5-15-8-13-7-14-15/h1-4,7-8,16-17H,5-6H2
InChIKeyQHDAWWCSSVKVRL-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.81
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol

2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol (PubChem CID 71322817) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
PubChem CID71322817
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESOCC(O)(Cn1cncn1)c1ccccc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-10-4-2-1-3-9(10)11(17,6-16)5-15-8-13-7-14-15/h1-4,7-8,16-17H,5-6H2
InChIKeyQHDAWWCSSVKVRL-UHFFFAOYSA-N
XLogP0.81
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 13305463
1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782950
1-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782960
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 163284355
2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 19086787
1-[(2-chlorophenyl)methylselanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 171351195
1-azido-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 14706518
1-[(2-chlorophenyl)methylamino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 56966763
(E)-1-(2-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pent-1-en-3-ol
CID 19994976
2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 13236903

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The IUPAC name of 2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol (CID 71322817) is 2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The canonical SMILES for 2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol is OCC(O)(Cn1cncn1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The InChIKey is QHDAWWCSSVKVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-10-4-2-1-3-9(10)11(17,6-16)5-15-8-13-7-14-15/h1-4,7-8,16-17H,5-6H2.
What are the key properties of 2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol has a molecular weight of 253.69 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 71322817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).